N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride

C24H28ClN5O2 — CID 162671796

IUPACN-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4cccc5ccccc45)C3)CC2)nc1
InChIInChI=1S/C24H27N5O2.ClH/c30-22(27-31)20-14-25-23(26-15-20)29-12-9-24(10-13-29)8-11-28(17-24)16-19-6-3-5-18-4-1-2-7-21(18)19;/h1-7,14-15,31H,8-13,16-17H2,(H,27,30);1H
InChIKeyLRDKPVILNJCOSI-UHFFFAOYSA-N
MW453.97 g/mol
LogP3.66
Rot. Bonds4

About N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride

N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 162671796) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
PubChem CID162671796
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC NameN-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4cccc5ccccc45)C3)CC2)nc1
InChIInChI=1S/C24H27N5O2.ClH/c30-22(27-31)20-14-25-23(26-15-20)29-12-9-24(10-13-29)8-11-28(17-24)16-19-6-3-5-18-4-1-2-7-21(18)19;/h1-7,14-15,31H,8-13,16-17H2,(H,27,30);1H
InChIKeyLRDKPVILNJCOSI-UHFFFAOYSA-N
XLogP3.66
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 10286983
N-Hydroxy 2-{6-[(naphthalen-2-ylmethylamino)methyl]-3-azabicyclo[3.1.0]hex-3-yl}-pyrimidine-5-carboxamide
CID 49855588
N-hydroxy-2-[2-(phenanthren-9-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162645744
N-hydroxy-2-[2-(naphthalen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162657499
2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 162660646
2-[2-(anthracen-9-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 162662923
N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162667795
N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162670320
N-hydroxy-2-[(1S,5R)-6-(naphthalene-2-carbonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 49855789
N-hydroxy-2-[(1S,5R)-6-(naphthalen-2-ylmethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 49856926
2-[(1S,5R)-6-(benzylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
CID 49856927
N-hydroxy-2-[(1S,5R)-6-(2-phenylethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 49856928

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride (CID 162671796) is N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4cccc5ccccc45)C3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is LRDKPVILNJCOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2.ClH/c30-22(27-31)20-14-25-23(26-15-20)29-12-9-24(10-13-29)8-11-28(17-24)16-19-6-3-5-18-4-1-2-7-21(18)19;/h1-7,14-15,31H,8-13,16-17H2,(H,27,30);1H.
What are the key properties of N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 453.97 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 162671796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).